Chemical Properties of 2-Hexenoic acid, (E)- (CAS 13419-69-7)

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+

InChI Key

NIONDZDPPYHYKY-SNAWJCMRSA-N

Formula

C6H10O2

SMILES

CCCC=CC(=O)O

Molecular Weight¹

114.14

CAS

13419-69-7

Other Names

• (2E)-2-Hexenoic acid
• (2E)-Hexenoic acid
• (E)-2-Hexenoic acid
• 2-Hexenoic acid, trans-
• trans-2-Hexenoic acid
• trans-hex-2-enoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-185.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.76	kJ/mol	Joback Calculated Property
ΔfusH°	17.19	kJ/mol	Joback Calculated Property
ΔvapH°	52.33	kJ/mol	Joback Calculated Property
log10WS	-1.29		Crippen Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Inp	[1042.00; 1047.00]
Inp	1042.00		NIST
Inp	1047.00		NIST
Inp	1042.00		NIST
Inp	1047.00		NIST
I	[1922.00; 2002.00]
I	1933.00		NIST
I	1941.00		NIST
I	1983.00		NIST
I	1951.00		NIST
I	1967.00		NIST
I	1967.00		NIST
I	1938.00		NIST
I	Outlier 2002.00		NIST
I	1967.00		NIST
I	1962.00		NIST
I	1970.00		NIST
I	1969.00		NIST
I	1971.00		NIST
I	1922.00		NIST
I	1951.00		NIST
I	1967.00		NIST
I	1922.00		NIST
Tboil	490.20	K	NIST
Tc	665.94	K	Joback Calculated Property
Tfus	307.65 ± 1.00	K	NIST
Vc	0.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.08; 250.80]	J/mol×K	[486.89; 665.94]
Cp,gas	206.08	J/mol×K	486.89	Joback Calculated Property
Cp,gas	214.50	J/mol×K	516.73	Joback Calculated Property
Cp,gas	222.51	J/mol×K	546.57	Joback Calculated Property
Cp,gas	230.13	J/mol×K	576.41	Joback Calculated Property
Cp,gas	237.37	J/mol×K	606.26	Joback Calculated Property
Cp,gas	244.26	J/mol×K	636.10	Joback Calculated Property
Cp,gas	250.80	J/mol×K	665.94	Joback Calculated Property
η	[0.0001689; 0.0232383]	Pa×s	[263.05; 486.89]
η	0.0232383	Pa×s	263.05	Joback Calculated Property
η	0.0061439	Pa×s	300.36	Joback Calculated Property
η	0.0021795	Pa×s	337.66	Joback Calculated Property
η	0.0009502	Pa×s	374.97	Joback Calculated Property
η	0.0004814	Pa×s	412.28	Joback Calculated Property
η	0.0002731	Pa×s	449.58	Joback Calculated Property
η	0.0001689	Pa×s	486.89	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[374.12; 517.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56880e+01
Coefficient B			-4.56942e+03
Coefficient C			-7.74120e+01
Temperature range, min.			374.12
Temperature range, max.			517.77
Pvap	1.33	kPa	374.12	Calculated Property
Pvap	2.93	kPa	390.08	Calculated Property
Pvap	5.95	kPa	406.04	Calculated Property
Pvap	11.33	kPa	422.00	Calculated Property
Pvap	20.38	kPa	437.96	Calculated Property
Pvap	34.88	kPa	453.93	Calculated Property
Pvap	57.13	kPa	469.89	Calculated Property
Pvap	90.05	kPa	485.85	Calculated Property
Pvap	137.16	kPa	501.81	Calculated Property
Pvap	202.63	kPa	517.77	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexenoic acid, (E)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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